5-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C27H21ClN4OS2 MolecularWeight: 517.06484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NC(=NC=C4Cl)SCC5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NC(=NC=C4Cl)SCC5=CC=CC=C5C

InChI

InChI=1S/C27H21ClN4OS2/c1-16-7-12-22-23(13-16)35-26(31-22)18-8-10-20(11-9-18)30-25(33)24-21(28)14-29-27(32-24)34-15-19-6-4-3-5-17(19)2/h3-14H,15H2,1-2H3,(H,30,33)